diff --git a/src/aiida_quantumespresso/cli/workflows/pw/base.py b/src/aiida_quantumespresso/cli/workflows/pw/base.py index 6880eea19..75deb6e26 100755 --- a/src/aiida_quantumespresso/cli/workflows/pw/base.py +++ b/src/aiida_quantumespresso/cli/workflows/pw/base.py @@ -42,6 +42,9 @@ def launch_workflow( cutoff_wfc, cutoff_rho = pseudo_family.get_recommended_cutoffs(structure=structure, unit='Ry') parameters = { + 'CONTROL': { + 'calculation': 'scf', + }, 'SYSTEM': { 'ecutwfc': ecutwfc or cutoff_wfc, 'ecutrho': ecutrho or cutoff_rho,